55591-12-3

Basic information

• Product Name: 2,3-Dihydro-1,1-dimethyl-1H-indene-4-carboxylic acid ethyl ester
• Synonyms: 1,1-Dimethylindane-4-carboxylic acid ethyl ester;2,3-Dihydro-1,1-dimethyl-1H-indene-4-carboxylic acid ethyl ester
• CAS NO: 55591-12-3
• Molecular Formula: C₁₄H₁₈O₂
• Molecular Weight: 218.29
• Mol File: 55591-12-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 315.8°C at 760 mmHg
• Flash Point: 142.7°C
• Appearance: /
• Density: 1.032g/cm³
• Vapor Pressure: 0.000428mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: 2,3-Dihydro-1,1-dimethyl-1H-indene-4-carboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Dihydro-1,1-dimethyl-1H-indene-4-carboxylic acid ethyl ester(55591-12-3)
• EPA Substance Registry System: 2,3-Dihydro-1,1-dimethyl-1H-indene-4-carboxylic acid ethyl ester(55591-12-3)

Safety Data

• Hazardous Substances Data: 55591-12-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H18O2/c1-4-16-13(15)11-6-5-7-12-10(11)8-9-14(12,2)3/h5-7H,4,8-9H2,1-3H3

Upstream product

• 64-17-5 ethanol 
• 55712-38-4 1,1-dimethyl-indan-4-carboxylic acid 
• 13171-00-1 Celestolide 
• 61813-34-1 6-tert-butyl-1,1-dimethyl-4-indancarboxylic acid 

Downstream Products

• 55591-10-1 4-acetyl-1,1-dimethylindan 
• 79899-58-4 N-[7-tert-Butyl-3,3-dimethyl-indan-(1E)-ylidene]-N'-(2,4-dinitro-phenyl)-hydrazine 
• 56298-78-3 7-tert-butyl-3,3-dimethyl-1-indanone 
• 55591-13-4 1,1-dimethyl-4-(1-hydroxy-1-methylethyl)indan 

Relevant articles and documents

Synthesis of 4-tert-Butyl-1,1-dimethylindan and 7-tert-Butyl-3,3-dimethyl-1-indanone and a Comparison of Isomers

4-tert-Butyl-1,1-dimethylindan was synthesized to help establish the identity of products (5- and 6-tert-butyl-1,1-dimethylindan as minor and major products, respectively) from the sulfuric acid catalyzed condensation of tert-butylbenzene and isoprene.NMR (1H and 13C) studies of these hydrocarbons and their corresponding indanones, obtained through chromic acid oxidation, provided structural proof.Gated decoupling experiments were crucial to complete assignment.